4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide

C18H17Cl2N3O4 — CID 3394735

IUPAC4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c19-12-5-1-3-7-14(12)21-16(24)9-10-17(25)22-23-18(26)11-27-15-8-4-2-6-13(15)20/h1-8H,9-11H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyQQTWQRMSJQRKAY-UHFFFAOYSA-N
MW410.26 g/mol
LogP2.94
Rot. Bonds7

About 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide

4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide (PubChem CID 3394735) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
PubChem CID3394735
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC Name4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c19-12-5-1-3-7-14(12)21-16(24)9-10-17(25)22-23-18(26)11-27-15-8-4-2-6-13(15)20/h1-8H,9-11H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyQQTWQRMSJQRKAY-UHFFFAOYSA-N
XLogP2.94
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093502
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17122868

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide (CID 3394735) is 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide is O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
The InChIKey is QQTWQRMSJQRKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c19-12-5-1-3-7-14(12)21-16(24)9-10-17(25)22-23-18(26)11-27-15-8-4-2-6-13(15)20/h1-8H,9-11H2,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide has a molecular weight of 410.26 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 3394735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).